2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

C12H10N2O3S — CID 63654434

IUPAC2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ncccc2C(=O)O)s1
InChIInChI=1S/C12H10N2O3S/c1-7-4-5-9(18-7)11(15)14-10-8(12(16)17)3-2-6-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyKMPYLRSSNRNXNJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63654434) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63654434
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ncccc2C(=O)O)s1
InChIInChI=1S/C12H10N2O3S/c1-7-4-5-9(18-7)11(15)14-10-8(12(16)17)3-2-6-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyKMPYLRSSNRNXNJ-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 89112353
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 63654434) is 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)Nc2ncccc2C(=O)O)s1.
What is the InChIKey of 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is KMPYLRSSNRNXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-4-5-9(18-7)11(15)14-10-8(12(16)17)3-2-6-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63654434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).